2-chloro-1-methyl-3-(3-methylphenyl)benzene

C14H13Cl — CID 141199898

IUPAC2-chloro-1-methyl-3-(3-methylphenyl)benzene
SMILESCc1cccc(-c2cccc(C)c2Cl)c1
InChIInChI=1S/C14H13Cl/c1-10-5-3-7-12(9-10)13-8-4-6-11(2)14(13)15/h3-9H,1-2H3
InChIKeySYALHCIPEXUGNT-UHFFFAOYSA-N
MW216.71 g/mol
LogP4.62
Rot. Bonds1

About 2-chloro-1-methyl-3-(3-methylphenyl)benzene

2-chloro-1-methyl-3-(3-methylphenyl)benzene (PubChem CID 141199898) has the molecular formula C14H13Cl and a molecular weight of 216.71 g/mol. Its IUPAC name is 2-chloro-1-methyl-3-(3-methylphenyl)benzene.

Molecular Properties

Compound Name2-chloro-1-methyl-3-(3-methylphenyl)benzene
PubChem CID141199898
Molecular FormulaC14H13Cl
Molecular Weight216.71 g/mol
Exact Mass216.07
IUPAC Name2-chloro-1-methyl-3-(3-methylphenyl)benzene
SMILESCc1cccc(-c2cccc(C)c2Cl)c1
InChIInChI=1S/C14H13Cl/c1-10-5-3-7-12(9-10)13-8-4-6-11(2)14(13)15/h3-9H,1-2H3
InChIKeySYALHCIPEXUGNT-UHFFFAOYSA-N
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.71
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-2-[3-[4-[2-(3-methylphenyl)phenyl]phenyl]phenyl]benzene
CID 153455101
3-(2-chloro-3-methylphenyl)-N,N-diphenylaniline
CID 167083588
1,3-dimethyl-5-(3-methylphenyl)benzene;1-methyl-2-(3-methylphenyl)benzene
CID 143743281
4-methyl-2-(3-methylphenyl)-1-[2-(3-methylphenyl)phenyl]benzene
CID 58892355
2-bromo-1,3-bis(3-methylphenyl)benzene
CID 3691341
2-iodo-1,3-bis(3-methylphenyl)benzene
CID 170072024
1,1'-biphenyl;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene
CID 159346959
1,2-bis(3-methylphenyl)benzene;1,3-bis(3-methylphenyl)benzene;1-methyl-2-[2-(3-methylphenyl)phenyl]benzene;1-methyl-2-[3-(3-methylphenyl)phenyl]benzene;1-methyl-3-[3-(4-methylphenyl)phenyl]benzene;1-methyl-4-[2-(3-methylphenyl)phenyl]benzene
CID 162017354
ethane;1-methyl-2-(3-phenylphenyl)benzene;1-methyl-2-(4-phenylphenyl)benzene;1-methyl-3-(2-phenylphenyl)benzene;1-methyl-3-(3-phenylphenyl)benzene;1-methyl-3-(4-phenylphenyl)benzene;1-methyl-4-(3-phenylphenyl)benzene
CID 158292689
2-(2-chloro-3-methylphenyl)-5-methylaniline
CID 171393531
1-methyl-2-[2-methyl-6-(3-methylphenyl)phenyl]sulfonyl-3-(3-methylphenyl)benzene
CID 141051968
2-(3-methylphenyl)phenol
CID 11206198

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-methyl-3-(3-methylphenyl)benzene?
The IUPAC name of 2-chloro-1-methyl-3-(3-methylphenyl)benzene (CID 141199898) is 2-chloro-1-methyl-3-(3-methylphenyl)benzene.
What is the SMILES notation for 2-chloro-1-methyl-3-(3-methylphenyl)benzene?
The canonical SMILES for 2-chloro-1-methyl-3-(3-methylphenyl)benzene is Cc1cccc(-c2cccc(C)c2Cl)c1.
What is the InChIKey of 2-chloro-1-methyl-3-(3-methylphenyl)benzene?
The InChIKey is SYALHCIPEXUGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl/c1-10-5-3-7-12(9-10)13-8-4-6-11(2)14(13)15/h3-9H,1-2H3.
What are the key properties of 2-chloro-1-methyl-3-(3-methylphenyl)benzene?
2-chloro-1-methyl-3-(3-methylphenyl)benzene has a molecular weight of 216.71 g/mol, XLogP of 4.62, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-methyl-3-(3-methylphenyl)benzene is sourced from PubChem (CID 141199898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).